SCHEMBL14959565

SCHEMBL14959565

COC(=O)N1CCc2ccccc2C1CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.49
MTNR1B P49286 2/20 0.49
MTNR1A P48039 1/20 0.49
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ACE P12821 2/20 0.43
OPRM1 P35372 3/20 0.43
OPRK1 P41145 3/20 0.43
DRD1 P21728 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HHAT Q5VTY9 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11934342 0.89 OPRD1 (0.51) OPRD1MTNR1BACEOPRM1OPRK1
SCHEMBL14959494 0.87 ACE (0.41) OPRD1MTNR1BMTNR1AACEOPRM1
SCHEMBL11929933 0.86 OPRD1 (0.47) OPRD1MTNR1BACEDRD1MEN1
SCHEMBL14959567 0.85 MTNR1B (0.52) OPRD1MTNR1BMTNR1ACYP2D6CYP3A4
SCHEMBL8227352 0.83 CYP3A4 (0.57) MTNR1BMTNR1ACYP2D6CYP3A4CYP2C19
SCHEMBL8230760 0.78 MAPK1 (0.57) OPRD1MTNR1BMTNR1ACYP2D6CYP3A4
SCHEMBL9815267 0.76 OPRD1 (0.61) OPRD1MTNR1BACEOPRK1DRD1
SCHEMBL7152377 0.76 ACE (0.60) MTNR1BMTNR1ACYP2D6ACEHHAT
Hydrochloric Acid SCHEMBL9815293 0.76 OPRD1 (0.60) OPRD1MTNR1BACEOPRK1DRD1
SCHEMBL12187751 0.75 MTNR1B (0.49) OPRD1MTNR1BOPRM1OPRK1DRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A OPRD1 147/4885MTNR1B 346/4885MTNR1A 738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.